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5KB

Summary
Name:4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol
Formula:C25 H24 O2
Formal charge:0
Formula weight:356.457 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol
OpenEye OEToolkits1.9.24-[(4-hydroxyphenyl)-[(3R)-3-phenylcyclohexylidene]methyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccc(cc1)/C(c2ccc(O)cc2)=C3/CC(CCC3)c4ccccc4
InChIInChI1.03InChI=1S/C25H24O2/c26-23-13-9-19(10-14-23)25(20-11-15-24(27)16-12-20)22-8-4-7-21(17-22)18-5-2-1-3-6-18/h1-3,5-6,9-16,21,26-27H,4,7-8,17H2/t21-/m1/s1
InChIKeyInChI1.03VCHVPGQUQBYGKQ-OAQYLSRUSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(cc1)C(=C2CCC[C@H](C2)c3ccccc3)c4ccc(O)cc4
SMILESCACTVS3.385Oc1ccc(cc1)C(=C2CCC[CH](C2)c3ccccc3)c4ccc(O)cc4
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)[C@@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)C2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2

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数据于2024-08-07公开中

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